Data quality metrics extracted from 4lj3.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "fc759d97813bcad493c9c12e2fff119d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 56.693,
    "b": 70.300,
    "c": 66.636,
    "alpha": 90.00,
    "beta": 98.68,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.63,1.70],
    "number_observations_unique": 56878,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 5.4426
      },
      {
        "type": "Completeness",
        "value": 99.82
      },
      {
        "type": "Redundancy",
        "value": 3.42
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.70],
      "number_observations": 29781,
      "number_observations_unique": 8288,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.37
        },
        {
          "type": "I/SigI",
          "value": 1.78
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 3.59
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.79],
      "number_observations": 27772,
      "number_observations_unique": 7835,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27
        },
        {
          "type": "I/SigI",
          "value": 2.10
        },
        {
          "type": "Completeness",
          "value": 99.94
        },
        {
          "type": "Redundancy",
          "value": 3.54
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.90],
      "number_observations": 25000,
      "number_observations_unique": 7323,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23
        },
        {
          "type": "I/SigI",
          "value": 1.38
        },
        {
          "type": "Completeness",
          "value": 99.59
        },
        {
          "type": "Redundancy",
          "value": 3.41
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.03],
      "number_observations": 20460,
      "number_observations_unique": 6874,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17
        },
        {
          "type": "I/SigI",
          "value": 1.29
        },
        {
          "type": "Completeness",
          "value": 99.81
        },
        {
          "type": "Redundancy",
          "value": 2.98
        }
      ]
    },
    {
      "resolution_limits": [2.40,2.19],
      "number_observations": 20132,
      "number_observations_unique": 6298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        },
        {
          "type": "I/SigI",
          "value": 2.82
        },
        {
          "type": "Completeness",
          "value": 99.89
        },
        {
          "type": "Redundancy",
          "value": 3.20
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.40],
      "number_observations": 21222,
      "number_observations_unique": 5747,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "I/SigI",
          "value": 4.78
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 3.69
        }
      ]
    },
    {
      "resolution_limits": [3.10,2.69],
      "number_observations": 18027,
      "number_observations_unique": 5047,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 10.26
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 3.57
        }
      ]
    },
    {
      "resolution_limits": [3.80,3.10],
      "number_observations": 14090,
      "number_observations_unique": 4287,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 6.08
        },
        {
          "type": "Completeness",
          "value": 99.99
        },
        {
          "type": "Redundancy",
          "value": 3.29
        }
      ]
    },
    {
      "resolution_limits": [5.38,3.80],
      "number_observations": 10855,
      "number_observations_unique": 3345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 3.06
        },
        {
          "type": "Completeness",
          "value": 99.83
        },
        {
          "type": "Redundancy",
          "value": 3.25
        }
      ]
    },
    {
      "resolution_limits": [20.63,5.38],
      "number_observations": 7368,
      "number_observations_unique": 1834,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 5.96
        },
        {
          "type": "Completeness",
          "value": 98.17
        },
        {
          "type": "Redundancy",
          "value": 4.02
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):